N-(4-chlorophenyl)-2-[(2-nitrophenyl)sulfonylamino]acetamide

C14H12ClN3O5S — CID 127031219

IUPACN-(4-chlorophenyl)-2-[(2-nitrophenyl)sulfonylamino]acetamide
SMILESO=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(Cl)cc1
InChIInChI=1S/C14H12ClN3O5S/c15-10-5-7-11(8-6-10)17-14(19)9-16-24(22,23)13-4-2-1-3-12(13)18(20)21/h1-8,16H,9H2,(H,17,19)
InChIKeyIOUORDDJHVAUKI-UHFFFAOYSA-N
MW369.79 g/mol
LogP2.17
Rot. Bonds6

About N-(4-chlorophenyl)-2-[(2-nitrophenyl)sulfonylamino]acetamide

N-(4-chlorophenyl)-2-[(2-nitrophenyl)sulfonylamino]acetamide (PubChem CID 127031219) has the molecular formula C14H12ClN3O5S and a molecular weight of 369.79 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[(2-nitrophenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[(2-nitrophenyl)sulfonylamino]acetamide
PubChem CID127031219
Molecular FormulaC14H12ClN3O5S
Molecular Weight369.79 g/mol
Exact Mass369.02
IUPAC NameN-(4-chlorophenyl)-2-[(2-nitrophenyl)sulfonylamino]acetamide
SMILESO=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(Cl)cc1
InChIInChI=1S/C14H12ClN3O5S/c15-10-5-7-11(8-6-10)17-14(19)9-16-24(22,23)13-4-2-1-3-12(13)18(20)21/h1-8,16H,9H2,(H,17,19)
InChIKeyIOUORDDJHVAUKI-UHFFFAOYSA-N
XLogP2.17
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.79
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-2-[(2-methylphenyl)sulfonylamino]acetamide
CID 112997960
2-nitro-N-phenacylbenzenesulfonamide
CID 12517296
N-(3-methyl-2-oxobut-3-enyl)-2-nitrobenzenesulfonamide
CID 71423746
N-(3-hydroxypropyl)-2-nitrobenzenesulfonamide
CID 4145930
N'-hydroxy-2-[(2-nitrophenyl)sulfonylamino]ethanimidamide
CID 135248443
2-nitro-N-[4-[(2-nitrophenyl)sulfonylamino]butyl]benzenesulfonamide
CID 3955828
N-(4-acetylphenyl)-2-[(4-chlorophenyl)sulfonylamino]acetamide
CID 112999628
2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 9412029
N-(3,5-dichlorophenyl)-2-nitrobenzenesulfonamide
CID 779344
N-(3-chloro-4-fluorophenyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 1310867
3-amino-N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]propanamide;hydrochloride
CID 119329222
N-(3,4-difluorophenyl)-2-[(2-methylphenyl)sulfonylamino]acetamide
CID 113002375

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[(2-nitrophenyl)sulfonylamino]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[(2-nitrophenyl)sulfonylamino]acetamide (CID 127031219) is N-(4-chlorophenyl)-2-[(2-nitrophenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[(2-nitrophenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[(2-nitrophenyl)sulfonylamino]acetamide is O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[(2-nitrophenyl)sulfonylamino]acetamide?
The InChIKey is IOUORDDJHVAUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O5S/c15-10-5-7-11(8-6-10)17-14(19)9-16-24(22,23)13-4-2-1-3-12(13)18(20)21/h1-8,16H,9H2,(H,17,19).
What are the key properties of N-(4-chlorophenyl)-2-[(2-nitrophenyl)sulfonylamino]acetamide?
N-(4-chlorophenyl)-2-[(2-nitrophenyl)sulfonylamino]acetamide has a molecular weight of 369.79 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[(2-nitrophenyl)sulfonylamino]acetamide is sourced from PubChem (CID 127031219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).